SCHEMBL3477533

SCHEMBL3477533

Cc1cc(-c2nc3sc(N4CCN[C@H](C)C4)nn3c2-c2ccc(F)cc2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 3/20 0.52
GRM2 Q14416 1/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK14 Q16539 3/20 0.36
MAPK13 O15264 2/20 0.36
MAPK12 P53778 2/20 0.36
MAPK11 Q15759 2/20 0.36
GCGR P47871 1/20 0.36
MAPT P10636 1/20 0.35
NMT1 P30419 1/20 0.35
ACVR1 Q04771 1/20 0.35
GSK3B P49841 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
GRM5 P41594 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3477530 0.96 CSNK1E (0.52) CSNK1EGRM2MAPK1MEN1KMT2A
SCHEMBL13072854 0.88 CSNK1E (0.66) CSNK1EMAPK14MAPK13MAPK12MAPK11
SCHEMBL3477121 0.85 CSNK1E (0.50) CSNK1EMAPK14MAPK13MAPK12MAPK11
SCHEMBL3475363 0.79 CSNK1E (0.36) CSNK1EMAPK1MAPK14MAPK13MAPK12
SCHEMBL3478506 0.78 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL3475362 0.76 CSNK1E (0.36) CSNK1EMAPK14MAPK13MAPK12MAPK11
SCHEMBL3476211 0.74 CSNK1E (0.49) CSNK1EMAPK14MAPK13MAPK12MAPK11
SCHEMBL3476214 0.74 CSNK1E (0.49) CSNK1EMAPK14MAPK13MAPK12MAPK11
SCHEMBL1744710 0.73 CSNK1E (0.66) CSNK1EMAPK14MAPK13MAPK12MAPK11
SCHEMBL1743950 0.70 CSNK1E (0.66) CSNK1EACVR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010130934-A2 2-CYCLOAMINO-5-(PYRIDIN-4-YL)IMIDAZO[2,1-B][1,3,4]THIADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-11-18 WO disclosed